Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.42 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.42 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11083061 | 0.94 | MAPK14 (0.52) | PTGS2MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL11175120 | 0.85 | MAPK14 (0.59) | MAPK13MAPK12MAPK11MAPK14TGFBR1 | |
| SCHEMBL11083056 | 0.85 | NPC1 (0.40) | PTGS2MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL7084889 | 0.78 | MAPK14 (0.51) | MAPK13MAPK12MAPK11MAPK14TGFBR1 | |
| SCHEMBL7084428 | 0.78 | MAPK14 (0.51) | MAPK13MAPK12MAPK11MAPK14TGFBR1 | |
| SCHEMBL30023059 | 0.74 | PTGS2 (0.68) | PTGS2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL10998182 | 0.74 | KDM4E (0.40) | PTGS2KDM4EALDH1A1LMNANPSR1 | |
| SCHEMBL27820750 | 0.71 | PTGS2 (0.64) | PTGS2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL10967305 | 0.71 | KDM5A (0.58) | PTGS2HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL10969997 | 0.70 | PTGS2 (0.66) | PTGS2HDAC3HDAC4HDAC1HDAC7 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4503065-A | ANTIARTHRITIC, ANALGESIC | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1985-03-05 | — | — | US | disclosed |
| US-4372964-A | ANAGESIC, ANTIARTHRITIC | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1983-02-08 | — | — | US | disclosed |
| US-4348404-A | ANTIARTHRITIC | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1982-09-07 | — | — | US | disclosed |
| EP-0044486-A1 | Antiinflammatory 4,5-diaryl-alpha-polyfluoroalkyl-1H-imidazole-2-methanamines | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1982-01-27 | — | — | EP | disclosed |
| EP-0032113-A2 | Antiinflammatory 4,5-diaryl-alpha-(polyhaloalkyl)-1H-imidazole-2-methanols | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1981-07-15 | — | — | EP | disclosed |